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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Scaling and performance portability of the particle-in-cell scheme for plasma physics applications through mini-apps targeting exascale architectures

We perform a scaling and performance portability study of the particle-in-cell scheme for plasma physics applications through a set of mini-apps we name "Alpine", which can make use of exascale computing capabilities. The mini-apps are based on Independent Parallel Particle Layer, a framework that is designed around performance portable and dimension independent particles and fields. We benchmark the simulations with varying parameters such as grid resolutions (5123 to 20483) and number of simulation particles (109 to 1011) with the following mini-apps: weak and strong Landau damping, bump-on-tail and two-stream instabilities, and the dynamics of an electron bunch in a charge-neutral Penning trap. We show strong and weak scaling and analyze the performance of different components on several pre-exascale architectures such as Piz-Daint, Cori, Summit and Perlmutter. While the scaling and portability study helps identify the performance critical components of the particle-in-cell scheme in the current state-of-the-art computing architectures, the mini-apps by themselves can be used to develop new algorithms and optimize their high performance implementations targeting exascale architectures.

Muralikrishnan, Sriramkrishnan↗
DOE OSTI2024

A Self Consistent 2D Simulation of Coherent Synchrotron Radiation Effects on Beam Dynamics

An increasing interest in high quality and high current electron beams necessitates a thorough understanding and prediction of coherent synchrotron radiation effects. The self-interaction of charged particles in a beam undergoing synchrotron motion is a physically significant process that is all too often computationally intensive with very little analytical results to rely on for the general case. The coherent spectrum of this interaction is of utmost importance to the design of free electron lasers (FELs) and an accurate assessment is imperative for their design. This work presents a novel implementation to the numerical simulation of charged particle beams. The simulation is a self-consistent approach including the self-fields generated by the beam of which coherent synchrotron radiation effects are of primary interest. A particle-in-cell model is used where a planar beam sampled by point particles is deposited on an encompassing grid at each timestep. The electromagnetic fields are calculated on the grid using the retarded potentials according to causality. The electromagnetic forces from the fields are interpolated on each particle which in turn advance in time. The simulation is benchmarked against well-established results for coherent synchrotron radiation effects. In addition, studies are provided that show the convergence of simulation results for increasing resolution. A study into the transverse beam size effects on beam dynamics is performed as well as a proof of concept where the simulation is used by a genetic algorithm to optimize the design parameters of a beam lattice. The results of these studies in tandem verify the efficacy of the simulation for its practical use in accelerator design or the study of synchrotron radiation effects

Duffin, Dallan [Old Dominion Univ., Norfolk, VA (U↗
DOE OSTI2025

Practical Scalability of LuGo: Benchmarking the HHL Algorithm Using an Enhanced QPE Algorithm

The HHL algorithm is a prominent quantum algorithm that offers exponential speedup over its classical counterparts for solving a system of linear equations. However, synthesizing and executing HHL circuits demand significant computational resources from both classical and quantum systems. In this paper, we benchmark the HHL algorithm using the optimized Quantum Phase Estimation (QPE) generation algorithm, LuGo \cite{lu2025lugo}, to enhance its scalability and efficiency. We leverage the National Energy Research Scientific Computing Center's (NERSC) Perlmutter supercomputer to evaluate the scalability of generating HHL circuits and to measure the time to simulate the generated circuits. Additionally, we provide a comprehensive analysis of the algorithm's performance on various state-of-the-art superconducting and trapped-ion quantum devices, including studies on qubit connectivity, fidelity comparisons, and hardware compatibility and robustness. Our results offer preliminary insights into potential practical applications of the HHL algorithm enabled by LuGo and the performance of various types of quantum hardware.

Lu, Chao [ORNL] (ORCID:0000000179346933)↗
DOE OSTI2026

Poisson Log-Normal Process for Count Data Prediction

Modeling count data is important in physics and other scientific disciplines, where measurements often involve discrete, non-negative quantities such as photon or neutrino detection events. Traditional parametric approaches can be trained to generate integer-count predictions but may struggle with capturing complex, non-linear dependencies often observed in the data. Gaussian process (GP) regression provides a robust non-parametric alternative to modeling continuous data; however, it cannot generate integer outputs. We propose the Poisson Log-Normal (PoLoN) process, a framework that employs GP to model Poisson log-rates. As in GP regression, our approach relies on the correlations between data points captured via GP kernel structure rather than explicit functional parameterizations. We demonstrate that the PoLoN predictive distribution is Poisson-LogNormal and provide an algorithm for optimizing kernel hyperparameters. Furthermore, we adapt the PoLoN approach to the problem of detecting weak localized signals superimposed on a smoothly varying background - a task of considerable interest in many areas of science and engineering. Our framework allows us to predict the strength, location and width of the detected signals. We evaluate PoLoN's performance using both synthetic and real-world datasets, including the open dataset from CERN which was used to detect the Higgs boson at the Large Hadron Collider. Our results indicate that the PoLoN process can be used as a non-parametric alternative for analyzing, predicting, and extracting signals from integer-valued data.

Saha, Anushka [Rutgers U., Piscataway]↗
NASA NTRS2010

Robustness-Based Design Optimization Under Data Uncertainty

This paper proposes formulations and algorithms for design optimization under both aleatory (i.e., natural or physical variability) and epistemic uncertainty (i.e., imprecise probabilistic information), from the perspective of system robustness. The proposed formulations deal with epistemic uncertainty arising from both sparse and interval data without any assumption about the probability distributions of the random variables. A decoupled approach is proposed in this paper to un-nest the robustness-based design from the analysis of non-design epistemic variables to achieve computational efficiency. The proposed methods are illustrated for the upper stage design problem of a two-stage-to-orbit (TSTO) vehicle, where the information on the random design inputs are only available as sparse point and/or interval data. As collecting more data reduces uncertainty but increases cost, the effect of sample size on the optimality and robustness of the solution is also studied. A method is developed to determine the optimal sample size for sparse point data that leads to the solutions of the design problem that are least sensitive to variations in the input random variables.

Zaman, Kais↗
NASA NTRS2002

Comparison of Evolutionary (Genetic) Algorithm and Adjoint Methods for Multi-Objective Viscous Airfoil Optimizations

A comparison between an Evolutionary Algorithm (EA) and an Adjoint-Gradient (AG) Method applied to a two-dimensional Navier-Stokes code for airfoil design is presented. Both approaches use a common function evaluation code, the steady-state explicit part of the code,ARC2D. The parameterization of the design space is a common B-spline approach for an airfoil surface, which together with a common griding approach, restricts the AG and EA to the same design space. Results are presented for a class of viscous transonic airfoils in which the optimization tradeoff between drag minimization as one objective and lift maximization as another, produces the multi-objective design space. Comparisons are made for efficiency, accuracy and design consistency.

Pulliam, T. H.↗
NASA NTRS1993

Sensitivity calculations for a 2D, inviscid, supersonic forebody problem

The use of a sensitivity equation method to computer derivatives for optimization based design algorithms are discussed. The problem of designing an optimal forebody simulator is used to motivate the algorithm and to illustrate the basic ideas. Finally, how an existing computational fluid dynamics (CFD) code can be modified to compute sensitivities and a numerical example is presented.

Borggaard, Jeff↗
NASA NTRS1999

Solving Upwind-Biased Discretizations: Multigrid Solver Using Semicoarsening - 2

This paper studies a novel multigrid approach to the solution for a second order upwind biased discretization of the convection equation in two dimensions. This approach is based on semi-coarsening and well balanced explicit correction terms added to coarse-grid operators to maintain on coarse-grid the same cross-characteristic interaction as on the target (fine) grid. Colored relaxation schemes are used on all the levels allowing a very efficient parallel implementation. The results of the numerical tests can be summarized as follows: 1) The residual asymptotic convergence rate of the proposed V(0, 2) multigrid cycle is about 3 per cycle. This convergence rate far surpasses the theoretical limit (4/3) predicted for standard multigrid algorithms using full coarsening. The reported efficiency does not deteriorate with increasing the cycle, depth (number of levels) and/or refining the target-grid mesh spacing. 2) The full multi-grid algorithm (FMG) with two V(0, 2) cycles on the target grid and just one V(0, 2) cycle on all the coarse grids always provides an approximate solution with the algebraic error less than the discretization error. Estimates of the total work in the FMG algorithm are ranged between 18 and 30 minimal work units (depending on the target (discretizatioin). Thus, the overall efficiency of the FMG solver closely approaches (if does not achieve) the goal of the textbook multigrid efficiency. 3) A novel approach to deriving a discrete solution approximating the true continuous solution with a relative accuracy given in advance is developed. An adaptive multigrid algorithm (AMA) using comparison of the solutions on two successive target grids to estimate the accuracy of the current target-grid solution is defined. A desired relative accuracy is accepted as an input parameter. The final target grid on which this accuracy can be achieved is chosen automatically in the solution process. the actual relative accuracy of the discrete solution approximation obtained by AMA is always better than the required accuracy; the computational complexity of the AMA algorithm is (nearly) optimal (comparable with the complexity of the FMG algorithm applied to solve the problem on the optimally spaced target grid).

Diskin, Boris↗
NASA NTRS1992

Reliable design of H-2 optimal reduced-order controllers via a homotopy algorithm

Due to control processor limitations, the design of reduced-order controllers is an active area of research. Suboptimal methods based on truncating the order of the corresponding linear-quadratic-Gaussian (LQG) compensator tend to fail if the requested controller dimension is sufficiently small and/or the requested controller authority is sufficiently high. Also, traditional parameter optimization approaches have only local convergence properties. This paper discusses a homotopy algorithm for optimal reduced-order control that has global convergence properties. The exposition is for discrete-time systems. The algorithm has been implemented in MATLAB and is applied to a benchmark problem.

Collins, Emmanuel G.↗
NASA NTRS1991

Rectilinear partitioning of irregular data parallel computations

New mapping algorithms for domain oriented data-parallel computations, where the workload is distributed irregularly throughout the domain, but exhibits localized communication patterns are described. Researchers consider the problem of partitioning the domain for parallel processing in such a way that the workload on the most heavily loaded processor is minimized, subject to the constraint that the partition be perfectly rectilinear. Rectilinear partitions are useful on architectures that have a fast local mesh network. Discussed here is an improved algorithm for finding the optimal partitioning in one dimension, new algorithms for partitioning in two dimensions, and optimal partitioning in three dimensions. The application of these algorithms to real problems are discussed.

Nicol, David M.↗
DOE OSTI2024

Dark Energy Survey: Galaxy sample for the baryonic acoustic oscillation measurement from the final dataset

In this paper, we present and validate the galaxy sample used for the analysis of the baryon acoustic oscillation (BAO) signal in the Dark Energy Survey (DES) Y6 data. The definition is based on a color and redshift-dependent magnitude cut optimized to select galaxies at redshifts higher than 0.6, while ensuring a high-quality photo- z determination. The optimization is performed using a Fisher forecast algorithm, finding the optimal i -magnitude cut to be given by i < 19.64 + 2.894 z ph . For the optimal sample, we forecast an increase in precision in the BAO measurement of ∼ 25 % with respect to the Y3 analysis. Our BAO sample has a total of 15,937,556 galaxies in the redshift range 0.6 < z ph < 1.2 , and its angular mask covers 4 , 273.42 deg 2 to a depth of i = 22.5 . We validate its redshift distributions with three different methods: directional neighborhood fitting algorithm (DNF), which is our primary photo- z estimation; direct calibration with spectroscopic redshifts from VIPERS, which is a spectroscopic galaxy sample that overlaps with our BAO sample and is complete within our selection cuts; and clustering redshift using SDSS galaxies. The fiducial redshift distribution is a combination of these three techniques performed by modifying the mean and width of the DNF distributions to match those of VIPERS and clustering redshift. In this paper, we also describe the methodology used to mitigate the effect of observational systematics, which is analogous to the one used in the Y3 analysis. This paper is one of the two dedicated to the analysis of the BAO signal in DES Y6. In its companion paper, we present the angular diameter distance constraints obtained through the fitting to the BAO scale.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2019

Performance Optimization of Plate Airfoils for Martian Rotor Applications Using a Genetic Algorithm

The Mars Helicopter Technology Demonstrator will be flying on the NASA Mars 2020 rover mission scheduled to launch in July of 2020. The goal is to demonstrate the viability and potential of heavier-than-air vehicles in the Martian atmosphere. Research is performed at the Jet Propulsion Laboratory and NASA Ames Research Center to extend these capabilities and develop the Mars Science Helicopter as the next possible step for Martian rotorcraft. The Mars Science Helicopter mass is scaled up to the 5 to 20 kg range, allowing a greater payload (approximately 0.5 to 2.0 kg), and greater range (approximately 3 km). Key to achieving these targets is careful aerodynamic rotor design. The Martian atmosphere’s low density and the small helicopter rotors result in very low chord-based Reynolds number flows, which reduces rotor performance. A continuous genetic algorithm is developed to optimize airfoil shapes at representative conditions for the Martian atmosphere. Previous research indicates that sharp leading edges and plate-like airfoils can out-perform conventional airfoil shapes. The present optimization allows for camber and thickness variation of curved and polygonal thin airfoils with sharp leading edges. The airfoil performance is evaluated at the highest attainable liftto- drag ratio near a moderate lift coefficient at compressible Mach numbers, as expected for Martian rotor application. Increases between 16% and 29% in airfoil lift-to-drag ratio at fixed lift coefficients are observed when compared with the Mars Helicopter Technology Demonstrator airfoils. Improvements in hover figure of merit are estimated to be between 4% and 10%, when applied to the Mars Helicopter Technology Demonstrator.

Koning, Witold J. F.↗
NASA NTRS1983

Structural optimization by multilevel decomposition

A method is described for decomposing an optimization problem into a set of subproblems and a coordination problem which preserves coupling between the subproblems. The method is introduced as a special case of multilevel, multidisciplinary system optimization and its algorithm is fully described for two level optimization for structures assembled of finite elements of arbitrary type. Numerical results are given for an example of a framework to show that the decomposition method converges and yields results comparable to those obtained without decomposition. It is pointed out that optimization by decomposition should reduce the design time by allowing groups of engineers, using different computers to work concurrently on the same large problem.

Sobieszczanski-Sobieski, J.↗
NASA NTRS2008

MACOS Version 3.31

Version 3.31 of Modeling and Analysis for Controlled Optical Systems (MACOS) has been released. MACOS is an easy-to-use computer program for modeling and analyzing the behaviors of a variety of optical systems, including systems that have large, segmented apertures and are aligned with the technology of wavefront sensing and control. Two previous versions were described in "Improved Software for Modeling Controlled Optical Systems" (NPO-19841) NASA Tech Briefs, Vol. 21, No. 12 (December 1997), page 42 and "Optics Program Modified for Multithreaded Parallel Computing" (NPO-40572) NASA Tech Briefs, Vol. 30, No. 1 (January 2006) page 13a. The present version incorporates the following enhancements over prior versions: a) A powerful system-optimization facility includes algorithms for linear, nonlinear, unconstrained, and constrained optimization of optical systems under a variety of settings. b) There is now enhanced capability to perturb optical components individually and on subsystem levels, and to optimize system performance by adjusting selected individual components as well as subsystems. c) Capabilities for modeling a variety of new optical aperture types have been added. d) Effects of multilayer thin-film coats on optical surfaces can now be taken into account when tracing polarized rays. e) Major software-engineering work was performed to make MACOS more reliable, flexible, and manageable for purposes of maintenance and further development.

Redding, David↗
NASA NTRS2006

Stochastic Evolutionary Algorithms for Planning Robot Paths

A computer program implements stochastic evolutionary algorithms for planning and optimizing collision-free paths for robots and their jointed limbs. Stochastic evolutionary algorithms can be made to produce acceptably close approximations to exact, optimal solutions for path-planning problems while often demanding much less computation than do exhaustive-search and deterministic inverse-kinematics algorithms that have been used previously for this purpose. Hence, the present software is better suited for application aboard robots having limited computing capabilities (see figure). The stochastic aspect lies in the use of simulated annealing to (1) prevent trapping of an optimization algorithm in local minima of an energy-like error measure by which the fitness of a trial solution is evaluated while (2) ensuring that the entire multidimensional configuration and parameter space of the path-planning problem is sampled efficiently with respect to both robot joint angles and computation time. Simulated annealing is an established technique for avoiding local minima in multidimensional optimization problems, but has not, until now, been applied to planning collision-free robot paths by use of low-power computers.

Fink, Wolfgang↗
NASA NTRS2013

Mixed-Strategy Chance Constrained Optimal Control

This paper presents a novel chance constrained optimal control (CCOC) algorithm that chooses a control action probabilistically. A CCOC problem is to find a control input that minimizes the expected cost while guaranteeing that the probability of violating a set of constraints is below a user-specified threshold. We show that a probabilistic control approach, which we refer to as a mixed control strategy, enables us to obtain a cost that is better than what deterministic control strategies can achieve when the CCOC problem is nonconvex. The resulting mixed-strategy CCOC problem turns out to be a convexification of the original nonconvex CCOC problem. Furthermore, we also show that a mixed control strategy only needs to "mix" up to two deterministic control actions in order to achieve optimality. Building upon an iterative dual optimization, the proposed algorithm quickly converges to the optimal mixed control strategy with a user-specified tolerance.

Ono, Masahiro↗
NASA NTRS1988

Effect of model uncertainty on failure detection - The threshold selector

The performance of all failure detection, isolation, and accomodation (DIA) algorithms is influenced by the presence of model uncertainty. A unique framework is presented to incorporate a knowledge of modeling error in the analysis and design of failure detection systems. The tools being used are very similar to those in robust control theory. A concept is introduced called the threshold selector, which is a nonlinear inequality whose solution defines the set of detectable sensor failure signals. The threshold selector represents an innovative tool for analysis and synthesis of DIA algorithms. It identifies the optimal threshold to be used in innovations-based DIA algorithms. The optimal threshold is shown to be a function of the bound on modeling errors, the noise properties, the speed of DIA filters, and the classes of reference and failure signals. The size of the smallest detectable failure is also determined. The results are applied to a multivariable turbofan jet engine example, which demonstrates improvements compared to previous studies.

Emami-Naeini, Abbas↗